Structure of PDB 4p1l Chain A Binding Site BS01

Receptor Information
>4p1l Chain A (length=302) Species: 290398 (Chromohalobacter israelensis DSM 3043) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SWRGWNIHPPSYPNGKALESFAKEVAEKTEGRVEPKVYHNAVLGDQPDAI
EQTRSGALDFANFNMGPMGPIVPAANVLSLPFIFKSPDDMYRIMDGEIGE
RFADALAEKNLIVLSWFGSGARSLYNTDHPVETPDDVEGLKVRVMNNDLY
VQMIDEMGGNATPMAYGEVYQSLKTGVIDGAENNYPSYESSGHYEVANYY
SLTEHLILPECLCVAKASWEELSEKDRQAIREAAEDAAKEQRALWEEGVQ
ASKQKILDAGVKINEVDDKSAFQAKMQPIYDQFVQEHPELESLVTDIQDA
QS
Ligand information
Ligand IDBDP
InChIInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1
InChIKeyAEMOLEFTQBMNLQ-QIUUJYRFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O
OpenEye OEToolkits 1.7.0C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.370O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
ACDLabs 12.01O=C(O)C1OC(O)C(O)C(O)C1O
CACTVS 3.370O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
FormulaC6 H10 O7
Namebeta-D-glucopyranuronic acid;
beta-D-glucuronic acid;
D-glucuronic acid;
glucuronic acid
ChEMBLCHEMBL1159524
DrugBankDB03156
ZINCZINC000004097543
PDB chain4p1l Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4p1l Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		I41 H42 Q80 R156 R177 M179 Y200 N217 S221 E244
Binding residue
(residue number reindexed from 1)		I7 H8 Q46 R122 R143 M145 Y166 N183 S187 E210
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4p1l, PDBe:4p1l, PDBj:4p1l
PDBsum4p1l
PubMed25540822
UniProtQ1QUN2|DCTP_CHRSD Solute-binding protein Csal_2479 (Gene Name=dctP)

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